Ba16Ge16S48
Ba16Ge16S48 is a thermodynamically stable semiconducting ternary sulfide that provides a robust framework for exploring complex electronic materials.
About Ba16Ge16S48
Ba16Ge16S48 is a complex ternary sulfide compound composed of barium, germanium, and sulfur. As a thermodynamically stable material situated on the convex hull, it represents a robust structural arrangement within its chemical system. Its electronic character as a semiconductor makes it an intriguing candidate for specialized solid-state research and material design. The compound's structural integrity suggests potential for long-term stability in various experimental configurations. By leveraging the unique coordination environments of barium and germanium within the sulfur lattice, this material offers a distinct platform for exploring semiconducting behavior in complex chalcogenide frameworks.
Key Properties
Cross-validated computational properties for Ba16Ge16S48, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Ba16Ge16S48, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 2.45 | 0.0000 | -5.224 | 3.70 |
| — | — | — | — | — | 3.60 |
| No. 0 | unknown | — | — | — | 0.95 |
Applications
Where Ba16Ge16S48 is used.
Frequently Asked Questions
Common questions about Ba16Ge16S48, answered from cross-validated data.
What is Ba16Ge16S48?
Ba16Ge16S48 is a thermodynamically stable semiconducting ternary sulfide that provides a robust framework for exploring complex electronic materials.
What is Ba16Ge16S48 used for?
What is the band gap of Ba16Ge16S48?
Is Ba16Ge16S48 a metal, semiconductor, or insulator?
Is Ba16Ge16S48 thermodynamically stable?
What is the crystal structure of Ba16Ge16S48?
What is the density of Ba16Ge16S48?
How many polymorphs of Ba16Ge16S48 are known?
What elements does Ba16Ge16S48 contain?
Where does the data for Ba16Ge16S48 come from?
How It Compares
As a thermodynamically stable semiconducting phase, Ba16Ge16S48 serves as a foundational example of how barium-germanium-sulfur systems can achieve structural equilibrium. While it currently stands as a unique entry in this specific compositional space, it highlights the broader potential for discovering complex, stable semiconductors within the wider family of ternary metal sulfides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
Analyze Ba16Ge16S48 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →